2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(2,6-diphenyl-1-piperidyl)ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(2,6-diphenyl-1-piperidinyl)ethylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-(2,6-diphenylpiperidino)ethylthio]-2-methyl-phenoxy]acetic acid Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCN2C(CCCC2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCCN2C(CCCC2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C28H31NO3S/c1-21-19-24(15-16-27(21)32-20-28(30)31)33-18-17-29-25(22-9-4-2-5-10-22)13-8-14-26(29)23-11-6-3-7-12-23/h2-7,9-12,15-16,19,25-26H,8,13-14,17-18,20H2,1H3,(H,30,31)